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3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid ethyl ester
SpectraBase Compound ID 7WTqgn8Gtiy
InChI InChI=1S/C20H24N2O6S/c1-5-28-19(23)12-18(16-7-6-8-17(11-16)22(24)25)21-29(26,27)20-14(3)9-13(2)10-15(20)4/h6-11,18,21H,5,12H2,1-4H3
InChIKey NXUDYHGOUCMOCI-UHFFFAOYSA-N
Mol Weight 420.48 g/mol
Molecular Formula C20H24N2O6S
Exact Mass 420.135508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9t8YLozupOo
Name 3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid ethyl ester
Alternate Name(s) 3-(mesitylsulfonylamino)-3-(3-nitrophenyl)propionic acid ethyl ester Ethyl 3-(3-nitrophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
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Formula C20H24N2O6S
InChI InChI=1S/C20H24N2O6S/c1-5-28-19(23)12-18(16-7-6-8-17(11-16)22(24)25)21-29(26,27)20-14(3)9-13(2)10-15(20)4/h6-11,18,21H,5,12H2,1-4H3
InChIKey NXUDYHGOUCMOCI-UHFFFAOYSA-N
Molecular Weight 420.480 g/mol
SMILES N(S(c1c(cc(cc1C)C)C)(=O)=O)C(CC(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-015i-4951100000-fa0ae472b0253d89bf4c
Wiley ID 1442803